Dibutyl 2-fluoropropanedioate
TL;DR: Dibutyl 2-fluoropropanedioate (CAS 1598-96-5) is a chemical compound with molecular formula C11H19FO4 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl 2-fluoropropanedioate
Also Known As: dibutyl 2-fluoropropanedioate, Dibutyl fluoropropanedioate, Fluoromalonic acid dibutyl ester, 1,3-DIBUTYL 2-FLUOROPROPANEDIOATE, J3.544.954J
| Molecular Formula | C11H19FO4 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 234.12674 |
| Heavy Atoms | 16 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 1598-96-5 |
|---|---|
| SMILES | CCCCOC(=O)C(C(=O)OCCCC)F |
| InChIKey | CXOXVBFZFNYYRP-UHFFFAOYSA-N |
Product Overview
Dibutyl 2-fluoropropanedioate (CAS 1598-96-5), with molecular formula C11H19FO4 and molecular weight 234.13 g/mol. IUPAC: dibutyl 2-fluoropropanedioate.
Chemical Property Profile of Dibutyl 2-fluoropropanedioate
Property Insights of Dibutyl 2-fluoropropanedioate
The XLogP value of 3.1 indicates that Dibutyl 2-fluoropropanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dibutyl 2-fluoropropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl 2-fluoropropanedioate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dibutyl 2-fluoropropanedioate?
The CAS number of Dibutyl 2-fluoropropanedioate is 1598-96-5.
What is the molecular formula of Dibutyl 2-fluoropropanedioate?
The molecular formula of Dibutyl 2-fluoropropanedioate is C11H19FO4.
What is the molecular weight of Dibutyl 2-fluoropropanedioate?
The molecular weight of Dibutyl 2-fluoropropanedioate is 234.13 g/mol.
Where can I buy Dibutyl 2-fluoropropanedioate?
You can request a quote for Dibutyl 2-fluoropropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl 2-fluoropropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl 2-fluoropropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.